methyl 2-amino-5-chloro-3-methoxybenzoate

C9H10ClNO3 — CID 58566618

IUPACmethyl 2-amino-5-chloro-3-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OC)c1N
InChIInChI=1S/C9H10ClNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKeyNBXIKQUSMLUZEI-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.72
Rot. Bonds2

About methyl 2-amino-5-chloro-3-methoxybenzoate

methyl 2-amino-5-chloro-3-methoxybenzoate (PubChem CID 58566618) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-amino-5-chloro-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-chloro-3-methoxybenzoate
PubChem CID58566618
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-amino-5-chloro-3-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OC)c1N
InChIInChI=1S/C9H10ClNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKeyNBXIKQUSMLUZEI-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-chloro-3-methoxybenzoate?
The IUPAC name of methyl 2-amino-5-chloro-3-methoxybenzoate (CID 58566618) is methyl 2-amino-5-chloro-3-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-5-chloro-3-methoxybenzoate?
The canonical SMILES for methyl 2-amino-5-chloro-3-methoxybenzoate is COC(=O)c1cc(Cl)cc(OC)c1N.
What is the InChIKey of methyl 2-amino-5-chloro-3-methoxybenzoate?
The InChIKey is NBXIKQUSMLUZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3.
What are the key properties of methyl 2-amino-5-chloro-3-methoxybenzoate?
methyl 2-amino-5-chloro-3-methoxybenzoate has a molecular weight of 215.64 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-chloro-3-methoxybenzoate is sourced from PubChem (CID 58566618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).